orbital_charges     :real:2:4,4
  0.174026499205306E+001  0.109195142699131E+001  0.198568678145031E+001
  0.150733714163678E+001  0.676938752248718E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.174578264326096E+001
  0.108466278506145E+001  0.197528366529582E+001  0.151842413368879E+001
  0.673667678312805E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,4
  0.265316849928077E-001  0.180660299760131E+000 -0.137505734709210E-001
 -0.117625802042595E-001  0.357007752708848E-001 -0.325154958567215E-002
 -0.350875599727811E-001 -0.174915763358598E+000  0.935713910720342E-002
  0.203184551842330E-001 -0.414453116724180E-001  0.764498394938977E-002
mermin_energy       :real:0:
 -0.725857714193787E+001
end_coords          :real:2:3,4
 -0.278940563448146E+000  0.118074993053981E+001  0.300893510257468E+000
  0.152635435768706E+001  0.171373580726257E+001  0.194951691885756E+000
  0.278940563448146E+000 -0.118074993053981E+001  0.565455148658517E+000
 -0.152635435768706E+001 -0.167594128749099E+001  0.194951691885756E+000
